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kgcnn v3.0.1
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@PatReis PatReis released this 22 May 14:09
· 422 commits to master since this release
v3.0.1
c5144cb
  • Removed deprecated molecules.
  • Fix error in kgcnn.data.transform.scaler.serial
  • Fix error in QMDataset if attributes have been chosen. Now set_attributes does not cause an error.
  • Fix error in QMDataset with labels without SDF file.
  • Fix error in kgcnn.layers.conv.GraphSageNodeLayer .
  • Add reverse_edge_indices option to GraphDict.from_networkx . Fixed error in connection with kgcnn.crystal .
  • Started with kgcnn.io.file . Experimental. Will get more updates.
  • Fix error with StandardLabelScaler inheritance.
  • Added workflow notebook examples.
  • Fix error in import kgcnn.crystal.periodic_table to now properly include package data.
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